4-(4-methoxybenzoyl)-1H-quinazolin-2-one

C16H12N2O3 — CID 134117292

IUPAC4-(4-methoxybenzoyl)-1H-quinazolin-2-one
SMILESCOc1ccc(C(=O)c2nc(=O)[nH]c3ccccc23)cc1
InChIInChI=1S/C16H12N2O3/c1-21-11-8-6-10(7-9-11)15(19)14-12-4-2-3-5-13(12)17-16(20)18-14/h2-9H,1H3,(H,17,18,20)
InChIKeyICNVUEZSNJGABW-UHFFFAOYSA-N
MW280.28 g/mol
LogP2.16
Rot. Bonds3

About 4-(4-methoxybenzoyl)-1H-quinazolin-2-one

4-(4-methoxybenzoyl)-1H-quinazolin-2-one (PubChem CID 134117292) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 4-(4-methoxybenzoyl)-1H-quinazolin-2-one.

Molecular Properties

Compound Name4-(4-methoxybenzoyl)-1H-quinazolin-2-one
PubChem CID134117292
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name4-(4-methoxybenzoyl)-1H-quinazolin-2-one
SMILESCOc1ccc(C(=O)c2nc(=O)[nH]c3ccccc23)cc1
InChIInChI=1S/C16H12N2O3/c1-21-11-8-6-10(7-9-11)15(19)14-12-4-2-3-5-13(12)17-16(20)18-14/h2-9H,1H3,(H,17,18,20)
InChIKeyICNVUEZSNJGABW-UHFFFAOYSA-N
XLogP2.16
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxyphenoxy)ethyl]-2-oxo-1H-quinazoline-4-carboxamide
CID 110702552
N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-quinazoline-4-carboxamide
CID 110702529
N-(2-methoxyphenyl)-2-oxo-1H-quinazoline-4-carboxamide
CID 110702587
[2-(2-hydroxyethyl)-1H-indol-3-yl]-(4-methoxyphenyl)methanone
CID 56617388
isoquinolin-1-yl-(4-methoxyphenyl)methanone
CID 693112
[1-(4-methoxybenzoyl)-3-methylisoquinolin-4-yl] acetate
CID 67425165
4-(3-chlorophenyl)-6-(4-methoxybenzoyl)-1H-quinazolin-2-one
CID 68689459
2-(4-methoxybenzoyl)-1-methylquinolin-4-one
CID 15733027
(4-methoxyphenyl)-(3-methyl-2,6-dihydro-1H-azepino[4,5-b]indol-4-yl)methanone
CID 132990275
methyl 4-[2-(4-methoxyphenyl)-1H-indol-3-yl]benzoate
CID 71517932
N-(3-acetamidophenyl)-2-oxo-1H-quinazoline-4-carboxamide
CID 110702604
7H-indolo[2,3-c]quinolin-6-yl-(4-methylphenyl)methanone
CID 170637595

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxybenzoyl)-1H-quinazolin-2-one?
The IUPAC name of 4-(4-methoxybenzoyl)-1H-quinazolin-2-one (CID 134117292) is 4-(4-methoxybenzoyl)-1H-quinazolin-2-one.
What is the SMILES notation for 4-(4-methoxybenzoyl)-1H-quinazolin-2-one?
The canonical SMILES for 4-(4-methoxybenzoyl)-1H-quinazolin-2-one is COc1ccc(C(=O)c2nc(=O)[nH]c3ccccc23)cc1.
What is the InChIKey of 4-(4-methoxybenzoyl)-1H-quinazolin-2-one?
The InChIKey is ICNVUEZSNJGABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c1-21-11-8-6-10(7-9-11)15(19)14-12-4-2-3-5-13(12)17-16(20)18-14/h2-9H,1H3,(H,17,18,20).
What are the key properties of 4-(4-methoxybenzoyl)-1H-quinazolin-2-one?
4-(4-methoxybenzoyl)-1H-quinazolin-2-one has a molecular weight of 280.28 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxybenzoyl)-1H-quinazolin-2-one is sourced from PubChem (CID 134117292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).